[(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ethanoate

Systemtic Name: [(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ethanoate Openeye Name: [(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-3a,5a,5b,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate CAS Name: acetic acid [(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ester IUPAC Name: [(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate Traditional Name: acetic acid [(1R,3aR,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-3a,5a,5b,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)COC(=O)C)OC(=O)C)C)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)COC(=O)C)OC(=O)C)C)C

InChI

InChI=1S/C34H54O4/c1-21(2)24-12-15-30(5)18-19-33(8)25(29(24)30)10-11-27-31(6)16-14-28(38-23(4)36)32(7,20-37-22(3)35)26(31)13-17-34(27,33)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+/m0/s1